SCHEMBL4023050

SCHEMBL4023050

NCCCCC[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.66
CPB2 Q96IY4 5/20 0.64
CYP1A2 P05177 1/20 0.61
CPA3 P15088 3/20 0.60
CPA1 P15085 2/20 0.54
CPB1 P15086 1/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
MMP2 P08253 2/20 0.52
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4017000 1.00 FOLH1 (0.66) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL4016996 1.00 FOLH1 (0.66) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL429946 0.93 FOLH1 (0.70) FOLH1CPB2CYP1A2CPA3CPA1
Hydrochloric Acid SCHEMBL30239113 0.92 FOLH1 (0.68) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL13771465 0.89 CPB2 (0.56) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL2589028 0.86 CYP1A2 (0.70) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL11664393 0.86 FOLH1 (0.79) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL9336513 0.85 CPB2 (0.67) FOLH1CPB2CYP1A2CPA1ERAP2
SCHEMBL2455434 0.85 FOLH1 (0.68) FOLH1CPB2CYP1A2CPA3CPA1
SCHEMBL10521559 0.85 FOLH1 (0.68) FOLH1CPB2CYP1A2CPA3CPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009086835-A1 NOVEL CYANOGUANIDINES TOPOTARGET A/S (DK) 2009-07-16 WO disclosed
WO-2009086835-A1 NOVEL CYANOGUANIDINES TOPOTARGET A/S (DK) 2009-07-16 WO disclosed